Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4667100209
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 85 USD | 90 | 12 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-4667100209.sdf |
| SMILES | MCULE-4667100209.smiles |
| Standard InChI | MCULE-4667100209.inchi |
| InChIKey | MCULE-4667100209.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606860 | 95 | As is | in stock |
| P-867670928 | 95 | As is | in stock |
| P-615730125 | 95 | As is | by resynthesis (? - ? days) |
| P-851468551 | N/A | As is | by synthesis |
| P-851672505 | N/A | As is | by synthesis |
| P-901351431 | 95 | As is | by synthesis |
| P-563011099 | 95 | As is | in stock |
| P-531918881 | 90 | As is | 1 mg |
| P-454704184 | 90 | As is | in stock |
| P-3636113 | 90 | As is | 153 mg |
| P-436455345 | 95 | As is | in stock |
| P-425246244 | 90 | As is | in stock |
| P-19961486 | 90 | As is | in stock |
| P-34499887 | 90 | As is | by synthesis |
| P-502497232 | 95 | As is | by synthesis |
| P-504503724 | 90 | As is | by synthesis |
| P-492221084 | 95 | As is | in stock |
| P-502726419 | 90 | As is | in stock |
| P-596591165 | 90 | As is | 500 mg |
| P-651045790 | 90 | As is | by synthesis |
| P-885526177 | 95 | As is | by synthesis |
| P-18849558 | 90 | As is | in stock |
| P-23916712 | 90 | As is | in stock |
| P-12548229 | 90 | As is | 34 mg |
| P-22815741 | 90 | As is | in stock |
| P-502355372 | 90 | As is | in stock |
| P-888515608 | 94 | As is | by resynthesis (? - ? days) |
| P-888431786 | 94 | As is | by resynthesis (? - ? days) |
| P-611373204 | 90 | As is | in stock |
| P-1377185 | 90 | As is | 660 mg |
| P-3236522 | 90 | As is | 660 mg |
| P-2586619 | 90 | As is | 29 mg |
| P-1279124230 | 95 | As is | in stock |
| P-1279307016 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 265.312 |
| logP | 1.7205 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 130.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.7233 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
